5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-methylbenzoic acid

C15H20N2O4 — CID 66258924

IUPAC5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-methylbenzoic acid
SMILESCCNC1COCC1C(=O)Nc1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-3-16-13-8-21-7-12(13)14(18)17-10-5-4-9(2)11(6-10)15(19)20/h4-6,12-13,16H,3,7-8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyVHZVOZQGHAPNEE-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.26
Rot. Bonds5

About 5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-methylbenzoic acid

5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-methylbenzoic acid (PubChem CID 66258924) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-methylbenzoic acid
PubChem CID66258924
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-methylbenzoic acid
SMILESCCNC1COCC1C(=O)Nc1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-3-16-13-8-21-7-12(13)14(18)17-10-5-4-9(2)11(6-10)15(19)20/h4-6,12-13,16H,3,7-8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyVHZVOZQGHAPNEE-UHFFFAOYSA-N
XLogP1.26
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-N-(4-propylphenyl)oxolane-3-carboxamide
CID 66260204
N-(4-bromo-3-methoxyphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 82867796
N-(3-bromo-5-methylphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 107583569
3-bromo-2-[[4-(ethylamino)oxolane-3-carbonyl]amino]benzoic acid
CID 66258145
N-(3-chloro-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267529
2-[5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-pyridinyl]acetic acid
CID 107341011
5-[[(1S,2S)-2-ethoxycyclopropanecarbonyl]amino]-2-methylbenzoic acid
CID 129414772
3-bromo-4-[[4-(ethylamino)oxolane-3-carbonyl]amino]benzoic acid
CID 66260276
N-[6-(dimethylamino)-3-pyridinyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66260021
N-(4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255163
4-(ethylamino)-N-(1,2-oxazol-4-yl)oxolane-3-carboxamide
CID 66259686
N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265081

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-methylbenzoic acid?
The IUPAC name of 5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-methylbenzoic acid (CID 66258924) is 5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-methylbenzoic acid?
The canonical SMILES for 5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-methylbenzoic acid is CCNC1COCC1C(=O)Nc1ccc(C)c(C(=O)O)c1.
What is the InChIKey of 5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-methylbenzoic acid?
The InChIKey is VHZVOZQGHAPNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-16-13-8-21-7-12(13)14(18)17-10-5-4-9(2)11(6-10)15(19)20/h4-6,12-13,16H,3,7-8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-methylbenzoic acid?
5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-methylbenzoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-methylbenzoic acid is sourced from PubChem (CID 66258924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).